N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

C20H19N5O7S — CID 55389430

IUPACN-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1
InChIInChI=1S/C20H19N5O7S/c1-13-12-18(26)19(22-24(13)16-6-4-5-7-17(16)25(28)29)20(27)21-14-8-10-15(11-9-14)33(30,31)23(2)32-3/h4-12H,1-3H3,(H,21,27)
InChIKeyICOBTFNLAZXQNN-UHFFFAOYSA-N
MW473.47 g/mol
LogP1.88
Rot. Bonds7

About N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 55389430) has the molecular formula C20H19N5O7S and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID55389430
Molecular FormulaC20H19N5O7S
Molecular Weight473.47 g/mol
Exact Mass473.10
IUPAC NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1
InChIInChI=1S/C20H19N5O7S/c1-13-12-18(26)19(22-24(13)16-6-4-5-7-17(16)25(28)29)20(27)21-14-8-10-15(11-9-14)33(30,31)23(2)32-3/h4-12H,1-3H3,(H,21,27)
InChIKeyICOBTFNLAZXQNN-UHFFFAOYSA-N
XLogP1.88
TPSA153.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 55389430) is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is CON(C)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is ICOBTFNLAZXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O7S/c1-13-12-18(26)19(22-24(13)16-6-4-5-7-17(16)25(28)29)20(27)21-14-8-10-15(11-9-14)33(30,31)23(2)32-3/h4-12H,1-3H3,(H,21,27).
What are the key properties of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 473.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55389430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).